Glycoside
GD139366
Name:
2-[(7-cyclohexanecarbonyl-6-cyclopentyl-8-hydroxy-3-methoxynaphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C29H38O9Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(O)c(C(=O)C3CCCCC3)c(C3CCCC3)cc2c1Aglycone:
COc1cc(O)c2c(O)c(C(=O)C3CCCCC3)c(C3CCCC3)cc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 530.61 | Num_heavy_atoms: | 38 |
| TPSA: | 145.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD56196
Formula: C23H28O4
Smiles:
COc1cc(O)c2c(O)c(C(=O)C3CCCCC3)c(C3CCCC3)cc2c1| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.52 |
| AlogP: | 5.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 368.47 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
